2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile

C14H20N2 — CID 115131382

IUPAC2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
SMILESCc1cc(C)c(CCN(C)CC#N)cc1C
InChIInChI=1S/C14H20N2/c1-11-9-13(3)14(10-12(11)2)5-7-16(4)8-6-15/h9-10H,5,7-8H2,1-4H3
InChIKeyZRVFMJXFSTVEAU-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.61
Rot. Bonds4

About 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile

2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile (PubChem CID 115131382) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
PubChem CID115131382
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
SMILESCc1cc(C)c(CCN(C)CC#N)cc1C
InChIInChI=1S/C14H20N2/c1-11-9-13(3)14(10-12(11)2)5-7-16(4)8-6-15/h9-10H,5,7-8H2,1-4H3
InChIKeyZRVFMJXFSTVEAU-UHFFFAOYSA-N
XLogP2.61
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]acetonitrile
CID 115131389
[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methanethiol
CID 115228428
2-[[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methyl]butanenitrile
CID 115254132
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
CID 115223399
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 115244399
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]butanenitrile
CID 115231827
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131364
3-[methyl-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]amino]propanenitrile
CID 115231282
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129695

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile (CID 115131382) is 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile is Cc1cc(C)c(CCN(C)CC#N)cc1C.
What is the InChIKey of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile?
The InChIKey is ZRVFMJXFSTVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-9-13(3)14(10-12(11)2)5-7-16(4)8-6-15/h9-10H,5,7-8H2,1-4H3.
What are the key properties of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile?
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile has a molecular weight of 216.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile is sourced from PubChem (CID 115131382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).